data_50405 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; WT1(-KTS) backbone and side chain 13C, 15N and 1H assignments ; _BMRB_accession_number 50405 _BMRB_flat_file_name bmr50405.str _Entry_type original _Submission_date 2020-07-22 _Accession_date 2020-07-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Almost complete assignments for all atoms in the free WT1 zinc finger protein (minus KTS isoform). Excludes some (overlapped) serine HA, HB, some (overlapped) Phe side chains and all Asn and Gln side chain N. Carbonyl 13C assignments are not included. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nishikawa Tadateru . . 2 Wojciak Jonathan M. . 3 Dyson 'Helen Jane' . . 4 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 678 "13C chemical shifts" 395 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-27 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 4707 'WT1-KTSs free; contains only HN, N, CA, CB assignments' 4708 'WT1-KTS/DNA complex' 4709 WT1+KTS/free 4710 'WT1+KTS/DNA complex' 50236 'WT1-KTS/RNA complex' stop_ _Original_release_date 2020-07-22 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Alternative splicing of Wilms' tumor suppressor protein modulates DNA binding activity through isoform-specific DNA-induced conformational changes. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 10820004 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Laity J. H. . 2 Chung J. . . 3 Dyson H. J. . 4 Wright P. E. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 39 _Journal_issue 18 _Journal_ISSN 0006-2960 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5341 _Page_last 5348 _Year 2000 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citations_2 _Saveframe_category citation _Citation_full . _Citation_title ; RNA Binding by the KTS Splice Variants of the Wilms' Tumor Suppressor Protein WT1 ; _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nishikawa Tadateru . . 2 Wojciak Jonathan M. . 3 Dyson 'Helen Jane' . . 4 Wright Peter E. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details 'recently submitted' save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'WT1 zinc finger domain' _Enzyme_commission_number 'UniProt 19544' loop_ _Mol_system_component_name _Mol_label WT1-KTS $entity_1 'Zn 1' $entity_ZN 'Zn 2' $entity_ZN 'Zn 3' $entity_ZN 'Zn 4' $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Four independent zinc finger domains each held together by a 4-coordinate (2Cys, 2His) zinc coordination.' save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 14450 _Mol_thiol_state 'all other bound' loop_ _Biological_function 'transcription factor (DNA and RNA binding)' stop_ _Details '4 Cys2-His2 zinc fingers' ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; ASEKRPFMCAYPGCNKRYFK LSHLQMHSRKHTGEKPYQCD FKDCERRFSRSDQLKRHQRR HTGVKPFQCKTCQRKFSRSD HLKTHTRTHTGEKPFSCRWP SCQKKFARSDELVRHHNMH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 317 ALA 2 318 SER 3 319 GLU 4 320 LYS 5 321 ARG 6 322 PRO 7 323 PHE 8 324 MET 9 325 CYS 10 326 ALA 11 327 TYR 12 328 PRO 13 329 GLY 14 330 CYS 15 331 ASN 16 332 LYS 17 333 ARG 18 334 TYR 19 335 PHE 20 336 LYS 21 337 LEU 22 338 SER 23 339 HIS 24 340 LEU 25 341 GLN 26 342 MET 27 343 HIS 28 344 SER 29 345 ARG 30 346 LYS 31 347 HIS 32 348 THR 33 349 GLY 34 350 GLU 35 351 LYS 36 352 PRO 37 353 TYR 38 354 GLN 39 355 CYS 40 356 ASP 41 357 PHE 42 358 LYS 43 359 ASP 44 360 CYS 45 361 GLU 46 362 ARG 47 363 ARG 48 364 PHE 49 365 SER 50 366 ARG 51 367 SER 52 368 ASP 53 369 GLN 54 370 LEU 55 371 LYS 56 372 ARG 57 373 HIS 58 374 GLN 59 375 ARG 60 376 ARG 61 377 HIS 62 378 THR 63 379 GLY 64 380 VAL 65 381 LYS 66 382 PRO 67 383 PHE 68 384 GLN 69 385 CYS 70 386 LYS 71 387 THR 72 388 CYS 73 389 GLN 74 390 ARG 75 391 LYS 76 392 PHE 77 393 SER 78 394 ARG 79 395 SER 80 396 ASP 81 397 HIS 82 398 LEU 83 399 LYS 84 400 THR 85 401 HIS 86 402 THR 87 403 ARG 88 404 THR 89 405 HIS 90 406 THR 91 407 GLY 92 408 GLU 93 409 LYS 94 410 PRO 95 411 PHE 96 412 SER 97 413 CYS 98 414 ARG 99 415 TRP 100 416 PRO 101 417 SER 102 418 CYS 103 419 GLN 104 420 LYS 105 421 LYS 106 422 PHE 107 423 ALA 108 424 ARG 109 425 SER 110 426 ASP 111 427 GLU 112 428 LEU 113 429 VAL 114 430 ARG 115 431 HIS 116 432 HIS 117 433 ASN 118 434 MET 119 435 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15532 wt1-17mer . . . . . BMRB 15533 wt1-zf14 . . . . . BMRB 4708 WT1 . . . . . BMRB 4709 WT1 . . . . . BMRB 4710 WT1 . . . . . PDB 2JP9 'Structure Of The Wilms Tumor Suppressor Protein Zinc Finger Domain Bound To Dna' . . . . . PDB 2JPA 'Structure Of The Wilms Tumor Suppressor Protein Zinc Finger Domain Bound To Dna' . . . . . PDB 2PRT 'Structure Of The Wilms Tumor Suppressor Protein Zinc Finger Domain Bound To Dna' . . . . . DBJ BAA11522 'WT1 [Xenopus laevis]' . . . . . DBJ BAA28147 'unnamed protein product [Sus scrofa]' . . . . . DBJ BAA94793 'WT1(-KTS) [Gallus gallus]' . . . . . DBJ BAF84425 'unnamed protein product [Homo sapiens]' . . . . . EMBL CAA35956 'Krueppel-like zinc-finger protein [Homo sapiens]' . . . . . EMBL CAA43819 'unnamed protein product [Homo sapiens]' . . . . . EMBL CDG23662 'Wt1 protein [Capreolus capreolus]' . . . . . GB AAA36810 "Wilms' tumor protein, partial [Homo sapiens]" . . . . . GB AAA61299 "Wilms' tumor assocated protein [Homo sapiens]" . . . . . GB AAB33443 'WT1 [Homo sapiens]' . . . . . GB AAB53152 'WT1 [Xenopus laevis]' . . . . . GB AAH32861 'WT1 protein [Homo sapiens]' . . . . . PRF 1604420A 'Zn finger protein' . . . . . REF NP_000369 'Wilms tumor protein isoform A [Homo sapiens]' . . . . . REF NP_001001264 'Wilms tumor protein homolog [Sus scrofa]' . . . . . REF NP_001079057 'Wilms tumor protein homolog A [Xenopus laevis]' . . . . . REF NP_001079336 'Wilms tumor protein homolog B [Xenopus laevis]' . . . . . REF NP_001135625 'Wilms tumor protein homolog [Xenopus (Silurana) tropicalis]' . . . . . SP B5DE03 'RecName: Full=Wilms tumor protein homolog' . . . . . SP O62651 'RecName: Full=Wilms tumor protein homolog' . . . . . SP P19544 'RecName: Full=Wilms tumor protein; AltName: Full=WT33' . . . . . SP P79958 'RecName: Full=Wilms tumor protein homolog B; Short=XWT1b; Short=XeWT1' . . . . . TPG DAA21902 'TPA: Wilms tumor 1-like [Bos taurus]' . . . . . stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens wt1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21 plasmid PET21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'WT1 zinc finger domain (-KTS isoform)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 0.55 mM 0.5 0.6 '[U-95% 13C; U-95% 15N]' 'deuterated Tris' 10 mM . . 'natural abundance' KCl 20 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' NaN3 1 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRView _Version 'NMRviewJ implemented in NMRBox' loop_ _Task 'peak picking, analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 900 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_NMR_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label $sample_1 save_ save_3D_HNHA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNHB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH-_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH-' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_(H)CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; Temp.: 300K Buff.: 10mM deuterated Tris (pH6.8), 20mM KCl, 2mM DTT, 1mM NaN3 ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.05 n/a temperature 300 0.3 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label 15N-HSQC '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name WT1-KTS _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 318 2 SER HA H 4.43 0.01 1 2 318 2 SER HB2 H 3.84 0.01 2 3 318 2 SER CA C 57.82 0.05 1 4 318 2 SER CB C 63.23 0.05 1 5 319 3 GLU H H 8.58 0.01 1 6 319 3 GLU HA H 4.28 0.01 1 7 319 3 GLU HB2 H 2.00 0.01 2 8 319 3 GLU HB3 H 1.93 0.01 2 9 319 3 GLU HG2 H 2.28 0.01 2 10 319 3 GLU HG3 H 2.21 0.01 2 11 319 3 GLU CA C 55.99 0.05 1 12 319 3 GLU CB C 29.92 0.05 1 13 319 3 GLU CG C 35.86 0.05 1 14 319 3 GLU N N 123.50 0.05 1 15 320 4 LYS H H 8.45 0.01 1 16 320 4 LYS HA H 4.28 0.01 1 17 320 4 LYS HB2 H 1.83 0.01 2 18 320 4 LYS HB3 H 1.75 0.01 2 19 320 4 LYS HG2 H 1.45 0.01 2 20 320 4 LYS HG3 H 1.37 0.01 2 21 320 4 LYS HD2 H 1.51 0.01 2 22 320 4 LYS HD3 H 1.46 0.01 2 23 320 4 LYS HE2 H 2.96 0.01 2 24 320 4 LYS CA C 55.76 0.05 1 25 320 4 LYS CB C 32.58 0.05 1 26 320 4 LYS CG C 24.52 0.05 1 27 320 4 LYS CD C 28.28 0.05 1 28 320 4 LYS N N 123.68 0.05 1 29 321 5 ARG H H 8.34 0.01 1 30 321 5 ARG HA H 4.39 0.01 1 31 321 5 ARG HB2 H 1.47 0.01 2 32 321 5 ARG HB3 H 1.22 0.01 2 33 321 5 ARG HG2 H 1.16 0.01 2 34 321 5 ARG HG3 H 0.56 0.01 2 35 321 5 ARG CA C 52.88 0.05 1 36 321 5 ARG CB C 30.50 0.05 1 37 321 5 ARG N N 122.59 0.05 1 38 322 6 PRO HA H 4.18 0.01 1 39 322 6 PRO HB2 H 1.84 0.01 2 40 322 6 PRO HB3 H 1.10 0.01 2 41 322 6 PRO HG2 H 1.79 0.01 2 42 322 6 PRO HG3 H 1.64 0.01 2 43 322 6 PRO HD2 H 4.00 0.01 2 44 322 6 PRO HD3 H 3.74 0.01 2 45 322 6 PRO CA C 62.92 0.05 1 46 322 6 PRO CB C 31.91 0.05 1 47 322 6 PRO CG C 26.27 0.05 1 48 322 6 PRO CD C 50.49 0.05 1 49 323 7 PHE H H 7.94 0.01 1 50 323 7 PHE HA H 4.68 0.01 1 51 323 7 PHE HB2 H 3.05 0.01 2 52 323 7 PHE HB3 H 2.78 0.01 2 53 323 7 PHE CA C 56.97 0.05 1 54 323 7 PHE CB C 39.00 0.05 1 55 323 7 PHE N N 117.48 0.05 1 56 324 8 MET H H 8.73 0.01 1 57 324 8 MET HA H 4.95 0.01 1 58 324 8 MET HB2 H 2.02 0.01 2 59 324 8 MET HB3 H 1.80 0.01 2 60 324 8 MET HG2 H 2.51 0.01 2 61 324 8 MET HG3 H 2.31 0.01 2 62 324 8 MET CA C 53.91 0.05 1 63 324 8 MET CB C 34.98 0.05 1 64 324 8 MET CG C 30.82 0.05 1 65 324 8 MET N N 124.14 0.05 1 66 325 9 CYS H H 8.73 0.01 1 67 325 9 CYS HA H 4.34 0.01 1 68 325 9 CYS HB2 H 3.20 0.01 2 69 325 9 CYS HB3 H 2.85 0.01 2 70 325 9 CYS CA C 60.85 0.05 1 71 325 9 CYS CB C 29.54 0.05 1 72 325 9 CYS N N 127.48 0.05 1 73 326 10 ALA H H 8.81 0.01 1 74 326 10 ALA HA H 4.57 0.01 1 75 326 10 ALA HB H 1.51 0.01 1 76 326 10 ALA CA C 51.50 0.05 1 77 326 10 ALA CB C 19.02 0.05 1 78 326 10 ALA N N 131.96 0.05 1 79 327 11 TYR H H 9.14 0.01 1 80 327 11 TYR HA H 4.33 0.01 1 81 327 11 TYR HB2 H 2.57 0.01 2 82 327 11 TYR HB3 H 2.38 0.01 2 83 327 11 TYR HD1 H 6.74 0.01 3 84 327 11 TYR HD2 H 6.74 0.01 3 85 327 11 TYR HE1 H 6.68 0.01 3 86 327 11 TYR HE2 H 6.68 0.01 3 87 327 11 TYR CA C 57.86 0.05 1 88 327 11 TYR CB C 38.75 0.05 1 89 327 11 TYR CD1 C 132.38 0.05 3 90 327 11 TYR CD2 C 132.38 0.05 3 91 327 11 TYR CE1 C 117.66 0.05 3 92 327 11 TYR CE2 C 117.66 0.05 3 93 327 11 TYR N N 128.62 0.05 1 94 328 12 PRO HA H 4.12 0.01 1 95 328 12 PRO HB2 H 2.08 0.01 2 96 328 12 PRO HB3 H 1.67 0.01 2 97 328 12 PRO HG2 H 1.71 0.01 2 98 328 12 PRO HG3 H 1.67 0.01 2 99 328 12 PRO HD2 H 3.48 0.01 2 100 328 12 PRO HD3 H 2.09 0.01 2 101 328 12 PRO CA C 63.96 0.05 1 102 328 12 PRO CB C 30.87 0.05 1 103 328 12 PRO CG C 27.20 0.05 1 104 328 12 PRO CD C 49.90 0.05 1 105 329 13 GLY H H 8.82 0.01 1 106 329 13 GLY HA2 H 4.14 0.01 2 107 329 13 GLY HA3 H 3.68 0.01 2 108 329 13 GLY CA C 44.95 0.05 1 109 329 13 GLY N N 112.66 0.05 1 110 330 14 CYS H H 8.08 0.01 1 111 330 14 CYS HA H 4.49 0.01 1 112 330 14 CYS HB2 H 3.34 0.01 2 113 330 14 CYS HB3 H 2.87 0.01 2 114 330 14 CYS CA C 60.85 0.05 1 115 330 14 CYS CB C 29.83 0.05 1 116 330 14 CYS N N 123.44 0.05 1 117 331 15 ASN H H 8.70 0.01 1 118 331 15 ASN HA H 4.71 0.01 1 119 331 15 ASN HB2 H 2.93 0.01 2 120 331 15 ASN CA C 53.26 0.05 1 121 331 15 ASN CB C 37.85 0.05 1 122 331 15 ASN N N 115.14 0.05 1 123 332 16 LYS H H 8.06 0.01 1 124 332 16 LYS HA H 4.00 0.01 1 125 332 16 LYS HB2 H 1.42 0.01 2 126 332 16 LYS HB3 H 1.32 0.01 2 127 332 16 LYS HG2 H 1.53 0.01 2 128 332 16 LYS HG3 H 1.15 0.01 2 129 332 16 LYS HD2 H 1.65 0.01 2 130 332 16 LYS HE2 H 2.97 0.01 2 131 332 16 LYS CA C 57.26 0.05 1 132 332 16 LYS CB C 32.58 0.05 1 133 332 16 LYS CG C 25.24 0.05 1 134 332 16 LYS CD C 27.8 0.1 1 135 332 16 LYS CE C 41.8 0.1 1 136 332 16 LYS N N 121.59 0.05 1 137 333 17 ARG H H 7.67 0.01 1 138 333 17 ARG HA H 5.14 0.01 1 139 333 17 ARG HB2 H 1.59 0.01 2 140 333 17 ARG HB3 H 1.31 0.01 2 141 333 17 ARG HG2 H 1.53 0.01 2 142 333 17 ARG HD2 H 3.13 0.01 2 143 333 17 ARG HD3 H 3.07 0.01 2 144 333 17 ARG CA C 53.87 0.05 1 145 333 17 ARG CB C 33.65 0.05 1 146 333 17 ARG CG C 26.8 0.1 1 147 333 17 ARG CD C 43.1 0.1 1 148 333 17 ARG N N 117.99 0.05 1 149 334 18 TYR H H 8.74 0.01 1 150 334 18 TYR HA H 4.67 0.01 1 151 334 18 TYR HB2 H 3.57 0.01 2 152 334 18 TYR HB3 H 2.54 0.01 2 153 334 18 TYR HD1 H 7.09 0.01 3 154 334 18 TYR HD2 H 7.09 0.01 3 155 334 18 TYR HE1 H 6.34 0.01 3 156 334 18 TYR HE2 H 6.34 0.01 3 157 334 18 TYR CA C 57.56 0.05 1 158 334 18 TYR CB C 43.83 0.05 1 159 334 18 TYR CD1 C 132.37 0.05 3 160 334 18 TYR CD2 C 132.37 0.05 3 161 334 18 TYR CE1 C 117.64 0.05 3 162 334 18 TYR CE2 C 117.64 0.05 3 163 334 18 TYR N N 117.55 0.05 1 164 335 19 PHE H H 9.69 0.01 1 165 335 19 PHE HA H 4.81 0.01 1 166 335 19 PHE HB2 H 3.42 0.01 2 167 335 19 PHE HB3 H 3.18 0.01 2 168 335 19 PHE HD1 H 7.47 0.01 3 169 335 19 PHE HD2 H 7.47 0.01 3 170 335 19 PHE HE1 H 7.33 0.01 3 171 335 19 PHE HE2 H 7.33 0.01 3 172 335 19 PHE CA C 59.89 0.05 1 173 335 19 PHE CB C 40.02 0.05 1 174 335 19 PHE CD1 C 131.21 0.05 3 175 335 19 PHE CD2 C 131.21 0.05 3 176 335 19 PHE CE1 C 131.13 0.05 3 177 335 19 PHE CE2 C 131.13 0.05 3 178 335 19 PHE N N 118.78 0.05 1 179 336 20 LYS H H 7.25 0.01 1 180 336 20 LYS HA H 4.65 0.01 1 181 336 20 LYS HB2 H 1.55 0.01 2 182 336 20 LYS HB3 H 0.81 0.01 2 183 336 20 LYS HG2 H 1.26 0.01 2 184 336 20 LYS HD2 H 1.50 0.01 2 185 336 20 LYS HD3 H 1.39 0.01 2 186 336 20 LYS HE2 H 2.92 0.01 2 187 336 20 LYS CA C 53.76 0.05 1 188 336 20 LYS CB C 35.18 0.05 1 189 336 20 LYS CG C 24.67 0.05 1 190 336 20 LYS CD C 28.54 0.05 1 191 336 20 LYS CE C 41.5 0.1 1 192 336 20 LYS N N 115.07 0.05 1 193 337 21 LEU H H 8.35 0.01 1 194 337 21 LEU HA H 3.17 0.01 1 195 337 21 LEU HB2 H 1.36 0.01 2 196 337 21 LEU HB3 H 0.80 0.01 2 197 337 21 LEU HG H 1.10 0.01 1 198 337 21 LEU HD1 H 0.72 0.01 2 199 337 21 LEU HD2 H 0.75 0.01 2 200 337 21 LEU CA C 57.22 0.05 1 201 337 21 LEU CB C 40.25 0.05 1 202 337 21 LEU CG C 26.21 0.05 1 203 337 21 LEU CD1 C 24.84 0.05 2 204 337 21 LEU CD2 C 22.23 0.05 2 205 337 21 LEU N N 127.67 0.05 1 206 338 22 SER H H 8.47 0.01 1 207 338 22 SER HA H 4.10 0.01 1 208 338 22 SER HB2 H 3.85 0.01 2 209 338 22 SER HB3 H 3.77 0.01 2 210 338 22 SER CA C 60.35 0.05 1 211 338 22 SER CB C 60.98 0.05 1 212 338 22 SER N N 113.10 0.05 1 213 339 23 HIS H H 6.68 0.01 1 214 339 23 HIS HA H 4.40 0.01 1 215 339 23 HIS HB2 H 3.32 0.01 2 216 339 23 HIS HB3 H 3.07 0.01 2 217 339 23 HIS HD2 H 6.90 0.01 1 218 339 23 HIS HE1 H 7.75 0.01 1 219 339 23 HIS CA C 56.55 0.05 1 220 339 23 HIS CB C 31.30 0.05 1 221 339 23 HIS CD2 C 116.61 0.05 1 222 339 23 HIS CE1 C 137.65 0.05 1 223 339 23 HIS N N 121.18 0.05 1 224 340 24 LEU H H 7.16 0.01 1 225 340 24 LEU HA H 3.65 0.01 1 226 340 24 LEU HB2 H 2.08 0.01 2 227 340 24 LEU HB3 H 1.36 0.01 2 228 340 24 LEU HG H 1.67 0.01 1 229 340 24 LEU HD1 H 1.01 0.01 2 230 340 24 LEU HD2 H 1.10 0.01 2 231 340 24 LEU CA C 57.38 0.05 1 232 340 24 LEU CB C 39.96 0.05 1 233 340 24 LEU CG C 27.1 0.1 1 234 340 24 LEU CD1 C 26.01 0.05 2 235 340 24 LEU CD2 C 22.21 0.05 2 236 340 24 LEU N N 121.82 0.05 1 237 341 25 GLN H H 8.63 0.01 1 238 341 25 GLN HA H 3.96 0.01 1 239 341 25 GLN HB2 H 2.14 0.01 2 240 341 25 GLN HB3 H 1.92 0.01 2 241 341 25 GLN HG2 H 2.35 0.01 2 242 341 25 GLN HG3 H 2.31 0.01 2 243 341 25 GLN CA C 58.88 0.05 1 244 341 25 GLN CB C 27.38 0.05 1 245 341 25 GLN CG C 33.79 0.05 1 246 341 25 GLN N N 119.23 0.05 1 247 342 26 MET H H 7.73 0.01 1 248 342 26 MET HA H 4.13 0.01 1 249 342 26 MET HB2 H 2.12 0.01 2 250 342 26 MET HB3 H 2.06 0.01 2 251 342 26 MET HG2 H 2.66 0.01 2 252 342 26 MET HG3 H 2.60 0.01 2 253 342 26 MET CA C 57.89 0.05 1 254 342 26 MET CB C 32.01 0.05 1 255 342 26 MET CG C 31.62 0.05 1 256 342 26 MET N N 117.86 0.05 1 257 343 27 HIS H H 7.61 0.01 1 258 343 27 HIS HA H 4.20 0.01 1 259 343 27 HIS HB2 H 3.23 0.01 2 260 343 27 HIS HB3 H 3.11 0.01 2 261 343 27 HIS HD2 H 7.00 0.01 1 262 343 27 HIS HE1 H 7.88 0.01 1 263 343 27 HIS CA C 58.82 0.05 1 264 343 27 HIS CB C 27.70 0.05 1 265 343 27 HIS CD2 C 126.07 0.05 1 266 343 27 HIS CE1 C 137.76 0.05 1 267 343 27 HIS N N 119.81 0.05 1 268 344 28 SER H H 8.79 0.01 1 269 344 28 SER HA H 3.82 0.01 1 270 344 28 SER HB2 H 4.09 0.01 2 271 344 28 SER HB3 H 4.06 0.01 2 272 344 28 SER CA C 61.79 0.05 1 273 344 28 SER CB C 62.63 0.05 1 274 344 28 SER N N 113.54 0.05 1 275 345 29 ARG H H 7.09 0.01 1 276 345 29 ARG HA H 4.08 0.01 1 277 345 29 ARG HB2 H 1.87 0.01 2 278 345 29 ARG HB3 H 1.76 0.01 2 279 345 29 ARG HG2 H 1.69 0.01 2 280 345 29 ARG HD2 H 3.20 0.01 2 281 345 29 ARG CA C 57.47 0.05 1 282 345 29 ARG CB C 29.60 0.05 1 283 345 29 ARG CG C 26.6 0.1 1 284 345 29 ARG CD C 43.1 0.1 1 285 345 29 ARG N N 119.70 0.05 1 286 346 30 LYS H H 7.80 0.01 1 287 346 30 LYS HA H 3.96 0.01 1 288 346 30 LYS HB2 H 1.42 0.01 2 289 346 30 LYS HG2 H 1.30 0.01 2 290 346 30 LYS HG3 H 1.21 0.01 2 291 346 30 LYS HD2 H 1.34 0.01 2 292 346 30 LYS HD3 H 1.45 0.01 2 293 346 30 LYS HE2 H 2.92 0.01 2 294 346 30 LYS HE3 H 2.92 0.01 2 295 346 30 LYS CA C 57.03 0.05 1 296 346 30 LYS CB C 31.21 0.05 1 297 346 30 LYS CG C 24.68 0.05 1 298 346 30 LYS CD C 28.3 0.1 1 299 346 30 LYS CE C 41.6 0.1 1 300 346 30 LYS N N 117.40 0.05 1 301 347 31 HIS H H 7.02 0.01 1 302 347 31 HIS HA H 4.59 0.01 1 303 347 31 HIS HB2 H 2.81 0.01 2 304 347 31 HIS HB3 H 2.21 0.01 2 305 347 31 HIS HD2 H 6.48 0.01 1 306 347 31 HIS HE1 H 7.91 0.01 1 307 347 31 HIS CA C 54.15 0.05 1 308 347 31 HIS CB C 27.46 0.05 1 309 347 31 HIS CD2 C 127.09 0.05 1 310 347 31 HIS CE1 C 138.39 0.05 1 311 347 31 HIS N N 115.41 0.05 1 312 348 32 THR H H 7.58 0.01 1 313 348 32 THR HA H 4.32 0.01 1 314 348 32 THR HB H 4.22 0.01 1 315 348 32 THR HG2 H 1.14 0.01 1 316 348 32 THR CA C 61.59 0.05 1 317 348 32 THR CB C 69.34 0.05 1 318 348 32 THR CG2 C 21.06 0.05 1 319 348 32 THR N N 112.82 0.05 1 320 349 33 GLY H H 8.29 0.01 1 321 349 33 GLY HA2 H 3.94 0.01 2 322 349 33 GLY HA3 H 3.94 0.01 2 323 349 33 GLY CA C 44.76 0.05 1 324 349 33 GLY N N 110.30 0.05 1 325 350 34 GLU H H 8.15 0.01 1 326 350 34 GLU HA H 4.19 0.01 1 327 350 34 GLU HB2 H 2.00 0.01 2 328 350 34 GLU HB3 H 1.92 0.01 2 329 350 34 GLU HG2 H 2.28 0.01 2 330 350 34 GLU HG3 H 2.24 0.01 2 331 350 34 GLU CA C 56.56 0.05 1 332 350 34 GLU CB C 29.87 0.05 1 333 350 34 GLU CG C 35.96 0.05 1 334 350 34 GLU N N 119.76 0.05 1 335 351 35 LYS H H 8.39 0.01 1 336 351 35 LYS HA H 4.54 0.01 1 337 351 35 LYS HB2 H 1.59 0.01 2 338 351 35 LYS HB3 H 1.38 0.01 2 339 351 35 LYS HG2 H 1.20 0.01 2 340 351 35 LYS HG3 H 1.12 0.01 2 341 351 35 LYS HD2 H 1.47 0.01 2 342 351 35 LYS HD3 H 1.45 0.01 2 343 351 35 LYS HE2 H 2.92 0.01 2 344 351 35 LYS HE3 H 2.92 0.01 2 345 351 35 LYS CA C 53.49 0.05 1 346 351 35 LYS CB C 33.11 0.05 1 347 351 35 LYS CD C 29.23 0.05 1 348 351 35 LYS N N 120.95 0.05 1 349 352 36 PRO HA H 4.32 0.01 1 350 352 36 PRO HB2 H 1.98 0.01 2 351 352 36 PRO HB3 H 1.27 0.01 2 352 352 36 PRO HG2 H 1.77 0.01 2 353 352 36 PRO HG3 H 1.53 0.01 2 354 352 36 PRO HD2 H 3.78 0.01 2 355 352 36 PRO HD3 H 3.64 0.01 2 356 352 36 PRO CA C 63.46 0.05 1 357 352 36 PRO CB C 31.93 0.05 1 358 352 36 PRO CG C 26.09 0.05 1 359 352 36 PRO CD C 50.06 0.05 1 360 353 37 TYR H H 7.86 0.01 1 361 353 37 TYR HA H 4.63 0.01 1 362 353 37 TYR HB2 H 2.92 0.01 2 363 353 37 TYR HB3 H 2.86 0.01 2 364 353 37 TYR HD1 H 7.02 0.01 3 365 353 37 TYR HD2 H 7.02 0.01 3 366 353 37 TYR HE1 H 6.89 0.01 3 367 353 37 TYR HE2 H 6.89 0.01 3 368 353 37 TYR CA C 57.43 0.05 1 369 353 37 TYR CB C 38.00 0.05 1 370 353 37 TYR CD1 C 132.35 0.05 3 371 353 37 TYR CD2 C 132.35 0.05 3 372 353 37 TYR CE1 C 118.28 0.05 3 373 353 37 TYR CE2 C 118.28 0.05 3 374 353 37 TYR N N 118.20 0.05 1 375 354 38 GLN H H 8.81 0.01 1 376 354 38 GLN HA H 5.00 0.01 1 377 354 38 GLN HB2 H 2.02 0.01 2 378 354 38 GLN HB3 H 1.81 0.01 2 379 354 38 GLN HG2 H 2.41 0.01 2 380 354 38 GLN HG3 H 2.09 0.01 2 381 354 38 GLN CA C 53.86 0.05 1 382 354 38 GLN CB C 31.17 0.05 1 383 354 38 GLN CG C 33.19 0.05 1 384 354 38 GLN N N 124.68 0.05 1 385 355 39 CYS H H 8.87 0.01 1 386 355 39 CYS HA H 4.29 0.01 1 387 355 39 CYS HB2 H 3.29 0.01 2 388 355 39 CYS HB3 H 2.89 0.01 2 389 355 39 CYS CA C 61.50 0.05 1 390 355 39 CYS CB C 30.00 0.05 1 391 355 39 CYS N N 128.39 0.05 1 392 356 40 ASP H H 8.48 0.01 1 393 356 40 ASP HA H 4.78 0.01 1 394 356 40 ASP HB2 H 2.97 0.01 2 395 356 40 ASP HB3 H 2.70 0.01 2 396 356 40 ASP CA C 53.10 0.05 1 397 356 40 ASP CB C 40.32 0.05 1 398 356 40 ASP N N 126.89 0.05 1 399 357 41 PHE H H 9.04 0.01 1 400 357 41 PHE HA H 4.15 0.01 1 401 357 41 PHE HB2 H 2.76 0.01 2 402 357 41 PHE HB3 H 2.47 0.01 2 403 357 41 PHE CA C 58.99 0.05 1 404 357 41 PHE CB C 39.22 0.05 1 405 357 41 PHE N N 126.49 0.05 1 406 358 42 LYS H H 7.86 0.01 1 407 358 42 LYS HA H 3.77 0.01 1 408 358 42 LYS HB2 H 1.49 0.01 2 409 358 42 LYS HB3 H 1.41 0.01 2 410 358 42 LYS HG2 H 1.17 0.01 2 411 358 42 LYS HG3 H 1.17 0.01 2 412 358 42 LYS HD2 H 1.51 0.01 2 413 358 42 LYS HD3 H 1.58 0.01 2 414 358 42 LYS CA C 57.90 0.05 1 415 358 42 LYS CB C 31.36 0.05 1 416 358 42 LYS CG C 23.90 0.05 1 417 358 42 LYS CD C 28.4 0.1 1 418 358 42 LYS N N 127.67 0.05 1 419 359 43 ASP H H 8.78 0.01 1 420 359 43 ASP HA H 4.34 0.01 1 421 359 43 ASP HB2 H 2.96 0.01 2 422 359 43 ASP HB3 H 2.91 0.01 2 423 359 43 ASP CA C 55.00 0.05 1 424 359 43 ASP CB C 39.00 0.05 1 425 359 43 ASP N N 119.79 0.05 1 426 360 44 CYS H H 8.26 0.01 1 427 360 44 CYS HA H 4.50 0.01 1 428 360 44 CYS HB2 H 3.29 0.01 2 429 360 44 CYS HB3 H 2.95 0.01 2 430 360 44 CYS CA C 60.85 0.05 1 431 360 44 CYS CB C 29.95 0.05 1 432 360 44 CYS N N 123.01 0.05 1 433 361 45 GLU H H 8.60 0.01 1 434 361 45 GLU HA H 4.51 0.01 1 435 361 45 GLU HB2 H 2.37 0.01 2 436 361 45 GLU HB3 H 1.99 0.01 2 437 361 45 GLU HG2 H 2.18 0.01 2 438 361 45 GLU HG3 H 2.14 0.01 2 439 361 45 GLU CA C 55.66 0.05 1 440 361 45 GLU CB C 27.83 0.05 1 441 361 45 GLU CG C 36.12 0.05 1 442 361 45 GLU N N 118.20 0.05 1 443 362 46 ARG H H 8.20 0.01 1 444 362 46 ARG HA H 3.96 0.01 1 445 362 46 ARG HB2 H 1.76 0.01 2 446 362 46 ARG HB3 H 1.76 0.01 2 447 362 46 ARG HG2 H 1.54 0.01 2 448 362 46 ARG HG3 H 1.54 0.01 2 449 362 46 ARG HD2 H 3.09 0.01 2 450 362 46 ARG HD3 H 3.09 0.01 2 451 362 46 ARG CA C 56.42 0.05 1 452 362 46 ARG CB C 29.71 0.05 1 453 362 46 ARG CG C 27.0 0.1 1 454 362 46 ARG CD C 41.5 0.1 1 455 362 46 ARG N N 122.13 0.05 1 456 363 47 ARG H H 7.71 0.01 1 457 363 47 ARG HA H 5.20 0.01 1 458 363 47 ARG HB2 H 1.82 0.01 2 459 363 47 ARG HB3 H 1.45 0.01 2 460 363 47 ARG HG2 H 1.39 0.01 2 461 363 47 ARG HG3 H 1.39 0.01 2 462 363 47 ARG HD2 H 3.21 0.01 2 463 363 47 ARG HD3 H 3.21 0.01 2 464 363 47 ARG CA C 53.89 0.05 1 465 363 47 ARG CB C 33.44 0.05 1 466 363 47 ARG CG C 27.1 0.1 1 467 363 47 ARG CD C 42.9 0.1 1 468 363 47 ARG N N 118.18 0.05 1 469 364 48 PHE H H 8.79 0.01 1 470 364 48 PHE HA H 4.84 0.01 1 471 364 48 PHE HB2 H 3.50 0.01 2 472 364 48 PHE HB3 H 2.71 0.01 2 473 364 48 PHE HD1 H 7.12 0.01 3 474 364 48 PHE HD2 H 7.12 0.01 3 475 364 48 PHE HE1 H 6.88 0.01 3 476 364 48 PHE HE2 H 6.88 0.01 3 477 364 48 PHE HZ H 6.20 0.01 1 478 364 48 PHE CA C 56.57 0.05 1 479 364 48 PHE CB C 43.69 0.05 1 480 364 48 PHE CD1 C 131.48 0.05 3 481 364 48 PHE CD2 C 131.48 0.05 3 482 364 48 PHE CE1 C 130.29 0.05 3 483 364 48 PHE CE2 C 130.29 0.05 3 484 364 48 PHE CZ C 128.48 0.05 1 485 364 48 PHE N N 116.17 0.05 1 486 365 49 SER H H 9.19 0.01 1 487 365 49 SER HA H 4.76 0.01 1 488 365 49 SER HB2 H 4.06 0.01 2 489 365 49 SER HB3 H 4.14 0.01 2 490 365 49 SER CA C 60.77 0.05 1 491 365 49 SER CB C 63.79 0.05 1 492 365 49 SER N N 116.96 0.05 1 493 366 50 ARG H H 7.68 0.01 1 494 366 50 ARG HA H 4.87 0.01 1 495 366 50 ARG HB2 H 2.12 0.01 2 496 366 50 ARG HB3 H 1.52 0.01 2 497 366 50 ARG HG2 H 1.76 0.01 2 498 366 50 ARG HG3 H 1.76 0.01 2 499 366 50 ARG CA C 53.88 0.05 1 500 366 50 ARG CB C 35.23 0.05 1 501 366 50 ARG N N 116.41 0.05 1 502 367 51 SER H H 8.53 0.01 1 503 367 51 SER CA C 60.2 0.1 1 504 367 51 SER CB C 61.8 0.1 1 505 367 51 SER N N 119.20 0.05 1 506 368 52 ASP H H 8.63 0.01 1 507 368 52 ASP HA H 4.28 0.01 1 508 368 52 ASP HB2 H 2.67 0.01 2 509 368 52 ASP HB3 H 2.55 0.01 2 510 368 52 ASP CA C 55.92 0.05 1 511 368 52 ASP CB C 38.30 0.05 1 512 368 52 ASP N N 119.80 0.05 1 513 369 53 GLN H H 6.95 0.01 1 514 369 53 GLN HA H 3.85 0.01 1 515 369 53 GLN HB2 H 2.43 0.01 2 516 369 53 GLN HB3 H 2.02 0.01 2 517 369 53 GLN HG2 H 2.31 0.01 2 518 369 53 GLN CA C 57.22 0.05 1 519 369 53 GLN CB C 28.22 0.05 1 520 369 53 GLN CG C 33.69 0.05 1 521 369 53 GLN N N 119.68 0.05 1 522 370 54 LEU H H 6.89 0.01 1 523 370 54 LEU HA H 3.21 0.01 1 524 370 54 LEU HB2 H 1.93 0.01 2 525 370 54 LEU HB3 H 1.21 0.01 2 526 370 54 LEU HG H 1.48 0.01 1 527 370 54 LEU HD1 H 1.04 0.01 2 528 370 54 LEU HD2 H 1.05 0.01 2 529 370 54 LEU CA C 57.13 0.05 1 530 370 54 LEU CB C 39.83 0.05 1 531 370 54 LEU CG C 27.10 0.05 1 532 370 54 LEU CD1 C 25.96 0.05 2 533 370 54 LEU CD2 C 22.58 0.05 2 534 370 54 LEU N N 120.91 0.05 1 535 371 55 LYS H H 8.03 0.01 1 536 371 55 LYS HA H 4.07 0.01 1 537 371 55 LYS HB2 H 1.78 0.01 2 538 371 55 LYS HB3 H 1.78 0.01 2 539 371 55 LYS HG2 H 1.49 0.01 2 540 371 55 LYS HG3 H 1.38 0.01 2 541 371 55 LYS HD2 H 1.65 0.01 2 542 371 55 LYS HD3 H 1.63 0.01 2 543 371 55 LYS HE2 H 2.92 0.01 2 544 371 55 LYS HE3 H 2.92 0.01 2 545 371 55 LYS CA C 59.04 0.05 1 546 371 55 LYS CB C 31.58 0.05 1 547 371 55 LYS CG C 24.77 0.05 1 548 371 55 LYS CD C 28.92 0.05 1 549 371 55 LYS CE C 41.6 0.1 1 550 371 55 LYS N N 118.87 0.05 1 551 372 56 ARG H H 7.53 0.01 1 552 372 56 ARG HA H 3.91 0.01 1 553 372 56 ARG HB2 H 1.76 0.01 2 554 372 56 ARG HB3 H 1.76 0.01 2 555 372 56 ARG HG2 H 1.54 0.01 2 556 372 56 ARG HG3 H 1.54 0.01 2 557 372 56 ARG HD2 H 3.18 0.01 2 558 372 56 ARG HD3 H 3.18 0.01 2 559 372 56 ARG CA C 59.13 0.05 1 560 372 56 ARG CB C 29.69 0.05 1 561 372 56 ARG CG C 27.3 0.1 1 562 372 56 ARG CD C 42.9 0.1 1 563 372 56 ARG N N 117.88 0.05 1 564 373 57 HIS H H 7.48 0.01 1 565 373 57 HIS HA H 4.23 0.01 1 566 373 57 HIS HB2 H 3.08 0.01 2 567 373 57 HIS HB3 H 2.93 0.01 2 568 373 57 HIS HD2 H 7.08 0.01 1 569 373 57 HIS HE1 H 7.86 0.01 1 570 373 57 HIS CA C 58.61 0.05 1 571 373 57 HIS CB C 27.97 0.05 1 572 373 57 HIS CD2 C 127.10 0.05 1 573 373 57 HIS CE1 C 137.99 0.05 1 574 373 57 HIS N N 119.13 0.05 1 575 374 58 GLN H H 8.45 0.01 1 576 374 58 GLN HA H 3.61 0.01 1 577 374 58 GLN HB2 H 2.29 0.01 2 578 374 58 GLN HB3 H 2.16 0.01 2 579 374 58 GLN HG2 H 2.86 0.01 2 580 374 58 GLN HG3 H 2.74 0.01 2 581 374 58 GLN CA C 59.04 0.05 1 582 374 58 GLN CB C 27.86 0.05 1 583 374 58 GLN CG C 35.38 0.05 1 584 374 58 GLN N N 116.57 0.05 1 585 375 59 ARG H H 7.27 0.01 1 586 375 59 ARG HA H 4.08 0.01 1 587 375 59 ARG HB2 H 1.85 0.01 2 588 375 59 ARG HB3 H 1.76 0.01 2 589 375 59 ARG HD2 H 3.20 0.01 2 590 375 59 ARG HD3 H 3.20 0.01 2 591 375 59 ARG CA C 57.83 0.05 1 592 375 59 ARG CB C 29.47 0.05 1 593 375 59 ARG CG C 26.8 0.1 1 594 375 59 ARG CD C 43.0 0.1 1 595 375 59 ARG N N 118.06 0.05 1 596 376 60 ARG H H 7.60 0.01 1 597 376 60 ARG HA H 4.04 0.01 1 598 376 60 ARG HB2 H 1.63 0.01 2 599 376 60 ARG HB3 H 1.47 0.01 2 600 376 60 ARG HG2 H 1.61 0.01 2 601 376 60 ARG HG3 H 1.61 0.01 2 602 376 60 ARG HD2 H 3.09 0.01 2 603 376 60 ARG HD3 H 3.09 0.01 2 604 376 60 ARG CA C 56.58 0.05 1 605 376 60 ARG CB C 28.8 0.1 1 606 376 60 ARG CG C 26.5 0.1 1 607 376 60 ARG CD C 42.7 0.1 1 608 376 60 ARG N N 116.86 0.05 1 609 377 61 HIS H H 7.14 0.01 1 610 377 61 HIS HA H 4.40 0.01 1 611 377 61 HIS HB2 H 2.71 0.01 2 612 377 61 HIS HB3 H 2.15 0.01 2 613 377 61 HIS HD2 H 6.26 0.01 1 614 377 61 HIS HE1 H 7.94 0.01 1 615 377 61 HIS CA C 54.89 0.05 1 616 377 61 HIS CB C 27.87 0.05 1 617 377 61 HIS CD2 C 126.71 0.05 1 618 377 61 HIS CE1 C 137.90 0.05 1 619 377 61 HIS N N 116.41 0.05 1 620 378 62 THR H H 7.62 0.01 1 621 378 62 THR HA H 4.32 0.01 1 622 378 62 THR HB H 4.28 0.01 1 623 378 62 THR HG2 H 1.23 0.01 1 624 378 62 THR CA C 61.78 0.05 1 625 378 62 THR CB C 69.26 0.05 1 626 378 62 THR CG2 C 21.05 0.05 1 627 378 62 THR N N 112.78 0.05 1 628 379 63 GLY H H 8.36 0.01 1 629 379 63 GLY HA2 H 4.02 0.01 2 630 379 63 GLY HA3 H 4.02 0.01 2 631 379 63 GLY CA C 44.76 0.05 1 632 379 63 GLY N N 110.98 0.05 1 633 380 64 VAL H H 7.93 0.01 1 634 380 64 VAL HA H 4.07 0.01 1 635 380 64 VAL HB H 2.06 0.01 1 636 380 64 VAL HG1 H 0.92 0.01 2 637 380 64 VAL HG2 H 0.93 0.01 2 638 380 64 VAL CA C 62.02 0.05 1 639 380 64 VAL CB C 32.22 0.05 1 640 380 64 VAL CG1 C 20.77 0.05 2 641 380 64 VAL CG2 C 20.16 0.05 2 642 380 64 VAL N N 119.21 0.05 1 643 381 65 LYS H H 8.39 0.01 1 644 381 65 LYS HA H 4.57 0.01 1 645 381 65 LYS HB2 H 1.64 0.01 2 646 381 65 LYS HB3 H 1.52 0.01 2 647 381 65 LYS CA C 53.48 0.05 1 648 381 65 LYS CB C 32.92 0.05 1 649 381 65 LYS N N 125.86 0.05 1 650 382 66 PRO HA H 4.34 0.01 1 651 382 66 PRO HB2 H 2.00 0.01 2 652 382 66 PRO HB3 H 1.32 0.01 2 653 382 66 PRO HG2 H 1.87 0.01 2 654 382 66 PRO HG3 H 1.64 0.01 2 655 382 66 PRO HD2 H 3.78 0.01 2 656 382 66 PRO HD3 H 3.68 0.01 2 657 382 66 PRO CA C 62.84 0.05 1 658 382 66 PRO CB C 31.93 0.05 1 659 382 66 PRO CG C 26.08 0.05 1 660 382 66 PRO CD C 50.06 0.05 1 661 383 67 PHE H H 8.02 0.01 1 662 383 67 PHE HA H 4.70 0.01 1 663 383 67 PHE HB2 H 3.08 0.01 2 664 383 67 PHE HB3 H 2.94 0.01 2 665 383 67 PHE CA C 56.92 0.05 1 666 383 67 PHE CB C 39.22 0.05 1 667 383 67 PHE N N 118.48 0.05 1 668 384 68 GLN H H 8.81 0.01 1 669 384 68 GLN HA H 5.20 0.01 1 670 384 68 GLN HB2 H 1.98 0.01 2 671 384 68 GLN HB3 H 1.74 0.01 2 672 384 68 GLN HG2 H 2.07 0.01 2 673 384 68 GLN HG3 H 1.99 0.01 2 674 384 68 GLN CA C 53.87 0.05 1 675 384 68 GLN CB C 31.72 0.05 1 676 384 68 GLN CG C 33.16 0.05 1 677 384 68 GLN N N 123.84 0.05 1 678 385 69 CYS H H 9.15 0.01 1 679 385 69 CYS HA H 4.56 0.01 1 680 385 69 CYS HB2 H 3.39 0.01 2 681 385 69 CYS HB3 H 2.89 0.01 2 682 385 69 CYS CA C 59.10 0.05 1 683 385 69 CYS CB C 29.40 0.05 1 684 385 69 CYS N N 128.33 0.05 1 685 386 70 LYS H H 9.27 0.01 1 686 386 70 LYS HA H 4.25 0.01 1 687 386 70 LYS HB2 H 1.95 0.01 2 688 386 70 LYS HB3 H 1.95 0.01 2 689 386 70 LYS HG2 H 1.63 0.01 2 690 386 70 LYS HG3 H 1.59 0.01 2 691 386 70 LYS HD2 H 1.74 0.01 2 692 386 70 LYS HD3 H 1.74 0.01 2 693 386 70 LYS CA C 57.83 0.05 1 694 386 70 LYS CB C 31.84 0.05 1 695 386 70 LYS CG C 24.70 0.05 1 696 386 70 LYS CD C 28.55 0.05 1 697 386 70 LYS N N 131.19 0.05 1 698 387 71 THR H H 8.87 0.01 1 699 387 71 THR HA H 4.08 0.01 1 700 387 71 THR HB H 3.34 0.01 1 701 387 71 THR HG2 H 0.60 0.01 1 702 387 71 THR CA C 65.32 0.05 1 703 387 71 THR CB C 68.53 0.05 1 704 387 71 THR CG2 C 20.46 0.05 1 705 387 71 THR N N 118.64 0.05 1 706 388 72 CYS H H 8.16 0.01 1 707 388 72 CYS HA H 5.16 0.01 1 708 388 72 CYS HB2 H 3.46 0.01 2 709 388 72 CYS HB3 H 2.76 0.01 2 710 388 72 CYS CA C 58.00 0.05 1 711 388 72 CYS CB C 31.70 0.05 1 712 388 72 CYS N N 118.93 0.05 1 713 389 73 GLN H H 7.88 0.01 1 714 389 73 GLN HA H 4.17 0.01 1 715 389 73 GLN HB2 H 2.50 0.01 2 716 389 73 GLN HB3 H 2.27 0.01 2 717 389 73 GLN HG2 H 2.28 0.01 2 718 389 73 GLN HG3 H 2.22 0.01 2 719 389 73 GLN CA C 58.12 0.05 1 720 389 73 GLN CB C 25.58 0.05 1 721 389 73 GLN CG C 33.97 0.05 1 722 389 73 GLN N N 115.15 0.05 1 723 390 74 ARG H H 8.09 0.01 1 724 390 74 ARG HA H 4.03 0.01 1 725 390 74 ARG HB2 H 1.47 0.01 2 726 390 74 ARG HB3 H 1.29 0.01 2 727 390 74 ARG HG2 H 1.81 0.01 2 728 390 74 ARG HD2 H 3.08 0.01 2 729 390 74 ARG HD3 H 2.88 0.01 2 730 390 74 ARG CA C 57.85 0.05 1 731 390 74 ARG CB C 30.88 0.05 1 732 390 74 ARG CG C 27.7 0.1 1 733 390 74 ARG CD C 43.0 0.1 1 734 390 74 ARG N N 122.90 0.05 1 735 391 75 LYS H H 8.05 0.01 1 736 391 75 LYS HA H 5.06 0.01 1 737 391 75 LYS HB2 H 1.77 0.01 2 738 391 75 LYS HB3 H 1.49 0.01 2 739 391 75 LYS HG2 H 1.39 0.01 2 740 391 75 LYS HG3 H 1.12 0.01 2 741 391 75 LYS HD2 H 1.65 0.01 2 742 391 75 LYS HD3 H 1.65 0.01 2 743 391 75 LYS HE2 H 2.93 0.01 2 744 391 75 LYS HE3 H 2.93 0.01 2 745 391 75 LYS CA C 54.80 0.05 1 746 391 75 LYS CB C 34.98 0.05 1 747 391 75 LYS CG C 24.89 0.05 1 748 391 75 LYS CD C 28.82 0.1 1 749 391 75 LYS CE C 41.5 0.1 1 750 391 75 LYS N N 120.56 0.05 1 751 392 76 PHE H H 8.86 0.01 1 752 392 76 PHE HA H 4.84 0.01 1 753 392 76 PHE HB2 H 3.60 0.01 2 754 392 76 PHE HB3 H 2.60 0.01 2 755 392 76 PHE HD1 H 7.21 0.01 3 756 392 76 PHE HD2 H 7.21 0.01 3 757 392 76 PHE HE1 H 6.80 0.01 3 758 392 76 PHE HE2 H 6.80 0.01 3 759 392 76 PHE HZ H 5.98 0.01 1 760 392 76 PHE CA C 56.70 0.05 1 761 392 76 PHE CB C 43.69 0.05 1 762 392 76 PHE CD1 C 131.56 0.05 3 763 392 76 PHE CD2 C 131.56 0.05 3 764 392 76 PHE CE1 C 130.09 0.05 3 765 392 76 PHE CE2 C 130.09 0.05 3 766 392 76 PHE CZ C 128.04 0.05 1 767 392 76 PHE N N 117.07 0.05 1 768 393 77 SER H H 9.77 0.01 1 769 393 77 SER HA H 4.73 0.01 1 770 393 77 SER CA C 59.74 0.05 1 771 393 77 SER CB C 63.9 0.1 1 772 393 77 SER N N 116.60 0.05 1 773 394 78 ARG H H 7.26 0.01 1 774 394 78 ARG HA H 4.66 0.01 1 775 394 78 ARG HB2 H 1.92 0.01 2 776 394 78 ARG HB3 H 0.95 0.01 2 777 394 78 ARG CA C 53.91 0.05 1 778 394 78 ARG CB C 34.31 0.05 1 779 394 78 ARG N N 117.20 0.05 1 780 395 79 SER H H 8.48 0.01 1 781 395 79 SER CA C 60.2 0.1 1 782 395 79 SER CB C 61.6 0.1 1 783 395 79 SER N N 119.13 0.05 1 784 397 81 HIS H H 7.08 0.01 1 785 397 81 HIS HA H 4.47 0.01 1 786 397 81 HIS HB2 H 3.29 0.01 2 787 397 81 HIS HB3 H 3.22 0.01 2 788 397 81 HIS HD2 H 6.93 0.01 1 789 397 81 HIS HE1 H 7.79 0.01 1 790 397 81 HIS CA C 56.47 0.05 1 791 397 81 HIS CB C 31.30 0.05 1 792 397 81 HIS CD2 C 116.85 0.05 1 793 397 81 HIS CE1 C 137.74 0.05 1 794 397 81 HIS N N 119.69 0.05 1 795 398 82 LEU H H 7.05 0.01 1 796 398 82 LEU HA H 3.17 0.01 1 797 398 82 LEU HB2 H 1.93 0.01 2 798 398 82 LEU HB3 H 1.16 0.01 2 799 398 82 LEU HG H 1.57 0.01 1 800 398 82 LEU HD1 H 1.05 0.01 2 801 398 82 LEU HD2 H 0.96 0.01 2 802 398 82 LEU CA C 57.25 0.05 1 803 398 82 LEU CB C 39.89 0.05 1 804 398 82 LEU CG C 27.03 0.05 1 805 398 82 LEU CD1 C 26.18 0.05 2 806 398 82 LEU CD2 C 22.54 0.05 2 807 398 82 LEU N N 120.35 0.05 1 808 399 83 LYS H H 8.12 0.01 1 809 399 83 LYS HA H 3.98 0.01 1 810 399 83 LYS HB2 H 1.87 0.01 1 811 399 83 LYS HB3 H 1.87 0.01 1 812 399 83 LYS HG2 H 1.45 0.01 2 813 399 83 LYS HG3 H 1.37 0.01 2 814 399 83 LYS HD2 H 1.65 0.01 2 815 399 83 LYS HD3 H 1.76 0.01 2 816 399 83 LYS HE2 H 2.91 0.01 2 817 399 83 LYS HE3 H 2.91 0.01 2 818 399 83 LYS CA C 59.64 0.05 1 819 399 83 LYS CB C 31.58 0.05 1 820 399 83 LYS CG C 24.52 0.05 1 821 399 83 LYS CD C 28.6 0.1 1 822 399 83 LYS CE C 41.6 0.1 1 823 399 83 LYS N N 121.02 0.05 1 824 400 84 THR H H 8.08 0.01 1 825 400 84 THR HA H 3.81 0.01 1 826 400 84 THR HB H 4.09 0.01 1 827 400 84 THR HG2 H 1.21 0.01 1 828 400 84 THR CA C 65.88 0.05 1 829 400 84 THR CB C 68.18 0.05 1 830 400 84 THR CG2 C 21.58 0.05 1 831 400 84 THR N N 115.59 0.05 1 832 401 85 HIS H H 7.74 0.01 1 833 401 85 HIS HA H 4.30 0.01 1 834 401 85 HIS HB2 H 3.08 0.01 2 835 401 85 HIS HB3 H 2.93 0.01 2 836 401 85 HIS HD2 H 6.91 0.01 1 837 401 85 HIS HE1 H 7.98 0.01 1 838 401 85 HIS CA C 58.88 0.05 1 839 401 85 HIS CB C 27.97 0.05 1 840 401 85 HIS CD2 C 127.00 0.05 1 841 401 85 HIS CE1 C 138.13 0.05 1 842 401 85 HIS N N 120.80 0.05 1 843 402 86 THR H H 8.88 0.01 1 844 402 86 THR HA H 3.70 0.01 1 845 402 86 THR HB H 4.41 0.01 1 846 402 86 THR HG2 H 1.55 0.01 1 847 402 86 THR CA C 66.62 0.05 1 848 402 86 THR CB C 68.57 0.05 1 849 402 86 THR CG2 C 21.81 0.05 1 850 402 86 THR N N 116.03 0.05 1 851 403 87 ARG H H 7.13 0.01 1 852 403 87 ARG HA H 4.18 0.01 1 853 403 87 ARG HB2 H 1.95 0.01 2 854 403 87 ARG HB3 H 1.87 0.01 2 855 403 87 ARG HG2 H 1.70 0.01 2 856 403 87 ARG HG3 H 1.70 0.01 2 857 403 87 ARG HD2 H 3.23 0.01 2 858 403 87 ARG HD3 H 3.23 0.01 2 859 403 87 ARG CA C 57.98 0.05 1 860 403 87 ARG CB C 29.48 0.05 1 861 403 87 ARG CG C 27.0 0.1 1 862 403 87 ARG CD C 43.1 0.1 1 863 403 87 ARG N N 119.69 0.05 1 864 404 88 THR H H 7.77 0.01 1 865 404 88 THR HA H 4.13 0.01 1 866 404 88 THR HB H 4.02 0.01 1 867 404 88 THR HG2 H 1.16 0.01 1 868 404 88 THR CA C 63.46 0.05 1 869 404 88 THR CB C 68.88 0.05 1 870 404 88 THR CG2 C 20.47 0.05 1 871 404 88 THR N N 109.88 0.05 1 872 405 89 HIS H H 7.23 0.01 1 873 405 89 HIS HA H 4.95 0.01 1 874 405 89 HIS HB2 H 3.30 0.01 2 875 405 89 HIS HB3 H 3.30 0.01 2 876 405 89 HIS HD2 H 6.72 0.01 1 877 405 89 HIS HE1 H 8.07 0.01 1 878 405 89 HIS CA C 54.82 0.05 1 879 405 89 HIS CB C 28.15 0.05 1 880 405 89 HIS CD2 C 126.73 0.05 1 881 405 89 HIS CE1 C 138.80 0.05 1 882 405 89 HIS N N 118.18 0.05 1 883 406 90 THR H H 7.80 0.01 1 884 406 90 THR HA H 4.32 0.01 1 885 406 90 THR HB H 4.25 0.01 1 886 406 90 THR HG2 H 1.17 0.01 1 887 406 90 THR CA C 62.18 0.05 1 888 406 90 THR CB C 69.32 0.05 1 889 406 90 THR CG2 C 20.83 0.05 1 890 406 90 THR N N 113.28 0.05 1 891 407 91 GLY H H 8.25 0.01 1 892 407 91 GLY HA2 H 3.99 0.01 1 893 407 91 GLY HA3 H 3.99 0.01 1 894 407 91 GLY CA C 44.73 0.05 1 895 407 91 GLY N N 110.27 0.05 1 896 408 92 GLU H H 8.05 0.01 1 897 408 92 GLU HA H 4.17 0.01 1 898 408 92 GLU HB2 H 1.96 0.01 2 899 408 92 GLU HB3 H 1.96 0.01 2 900 408 92 GLU HG2 H 2.26 0.01 2 901 408 92 GLU HG3 H 2.19 0.01 2 902 408 92 GLU CA C 56.40 0.05 1 903 408 92 GLU CB C 30.01 0.05 1 904 408 92 GLU CG C 35.98 0.05 1 905 408 92 GLU N N 120.24 0.05 1 906 409 93 LYS H H 8.33 0.01 1 907 409 93 LYS HA H 4.54 0.01 1 908 409 93 LYS HB2 H 1.63 0.01 2 909 409 93 LYS HB3 H 1.36 0.01 2 910 409 93 LYS HG2 H 1.20 0.01 2 911 409 93 LYS HG3 H 1.12 0.01 2 912 409 93 LYS HD2 H 1.47 0.01 2 913 409 93 LYS HD3 H 1.45 0.01 2 914 409 93 LYS HE2 H 2.92 0.01 2 915 409 93 LYS HE3 H 2.92 0.01 2 916 409 93 LYS CA C 53.44 0.05 1 917 409 93 LYS CB C 33.17 0.05 1 918 409 93 LYS CD C 29.23 0.05 1 919 409 93 LYS N N 121.74 0.05 1 920 410 94 PRO HA H 4.30 0.01 1 921 410 94 PRO HB2 H 2.00 0.01 2 922 410 94 PRO HB3 H 1.32 0.01 2 923 410 94 PRO HG2 H 1.87 0.01 2 924 410 94 PRO HG3 H 1.64 0.01 2 925 410 94 PRO HD2 H 3.78 0.01 2 926 410 94 PRO HD3 H 3.68 0.01 2 927 410 94 PRO CA C 63.16 0.05 1 928 410 94 PRO CB C 31.93 0.05 1 929 410 94 PRO CG C 26.08 0.05 1 930 410 94 PRO CD C 50.06 0.05 1 931 411 95 PHE H H 8.02 0.01 1 932 411 95 PHE HA H 4.74 0.01 1 933 411 95 PHE HB2 H 3.08 0.01 2 934 411 95 PHE HB3 H 2.94 0.01 2 935 411 95 PHE CA C 56.98 0.05 1 936 411 95 PHE CB C 39.22 0.05 1 937 411 95 PHE N N 118.48 0.05 1 938 413 97 CYS H H 8.53 0.01 1 939 413 97 CYS HA H 4.76 0.01 1 940 413 97 CYS HB2 H 3.17 0.01 2 941 413 97 CYS HB3 H 2.97 0.01 2 942 413 97 CYS CA C 60.29 0.05 1 943 413 97 CYS CB C 29.95 0.05 1 944 413 97 CYS N N 125.99 0.05 1 945 414 98 ARG H H 10.42 0.01 1 946 414 98 ARG HA H 4.47 0.01 1 947 414 98 ARG HB2 H 1.93 0.01 2 948 414 98 ARG HB3 H 1.84 0.01 2 949 414 98 ARG HG2 H 1.31 0.01 2 950 414 98 ARG HG3 H 1.57 0.01 2 951 414 98 ARG HD2 H 2.96 0.01 2 952 414 98 ARG HD3 H 2.96 0.01 2 953 414 98 ARG CA C 56.10 0.05 1 954 414 98 ARG CB C 29.81 0.05 1 955 414 98 ARG CG C 26.3 0.1 1 956 414 98 ARG CD C 42.8 0.1 1 957 414 98 ARG N N 129.79 0.05 1 958 415 99 TRP H H 9.73 0.01 1 959 415 99 TRP HA H 4.49 0.01 1 960 415 99 TRP HB2 H 3.10 0.01 2 961 415 99 TRP HB3 H 2.95 0.01 2 962 415 99 TRP HD1 H 6.84 0.01 1 963 415 99 TRP HE1 H 9.92 0.01 1 964 415 99 TRP HE3 H 7.46 0.01 1 965 415 99 TRP HZ2 H 7.37 0.01 1 966 415 99 TRP HZ3 H 6.91 0.01 1 967 415 99 TRP HH2 H 7.11 0.01 1 968 415 99 TRP CA C 56.64 0.05 1 969 415 99 TRP CB C 28.04 0.05 1 970 415 99 TRP CD1 C 126.23 0.05 1 971 415 99 TRP CE3 C 120.74 0.05 1 972 415 99 TRP CZ2 C 114.57 0.05 1 973 415 99 TRP CZ3 C 121.74 0.05 1 974 415 99 TRP CH2 C 124.31 0.05 1 975 415 99 TRP N N 130.04 0.05 1 976 415 99 TRP NE1 N 128.06 0.05 1 977 416 100 PRO HA H 4.28 0.01 1 978 416 100 PRO HB2 H 2.26 0.01 2 979 416 100 PRO HB3 H 1.89 0.01 2 980 416 100 PRO HG2 H 1.88 0.01 2 981 416 100 PRO HG3 H 1.88 0.01 2 982 416 100 PRO HD2 H 3.73 0.01 2 983 416 100 PRO HD3 H 3.03 0.01 2 984 416 100 PRO CA C 64.35 0.05 1 985 416 100 PRO CB C 31.39 0.05 1 986 416 100 PRO CG C 27.10 0.05 1 987 416 100 PRO CD C 50.47 0.05 1 988 417 101 SER H H 8.43 0.01 1 989 417 101 SER HA H 4.26 0.01 1 990 417 101 SER HB2 H 4.18 0.01 2 991 417 101 SER HB3 H 3.92 0.01 2 992 417 101 SER CA C 59.12 0.05 1 993 417 101 SER CB C 62.38 0.05 1 994 417 101 SER N N 112.59 0.05 1 995 418 102 CYS H H 8.21 0.01 1 996 418 102 CYS HA H 4.58 0.01 1 997 418 102 CYS HB2 H 3.49 0.01 2 998 418 102 CYS HB3 H 3.00 0.01 2 999 418 102 CYS CA C 60.23 0.05 1 1000 418 102 CYS CB C 30.81 0.05 1 1001 418 102 CYS N N 125.59 0.05 1 1002 419 103 GLN HA H 4.41 0.01 1 1003 419 103 GLN HB2 H 2.22 0.01 2 1004 419 103 GLN HB3 H 1.99 0.01 2 1005 419 103 GLN HG2 H 2.21 0.01 2 1006 419 103 GLN HG3 H 2.21 0.01 2 1007 419 103 GLN CA C 55.79 0.05 1 1008 419 103 GLN CB C 28.83 0.05 1 1009 419 103 GLN CG C 35.95 0.05 1 1010 420 104 LYS H H 8.20 0.01 1 1011 420 104 LYS HA H 3.96 0.01 1 1012 420 104 LYS HB2 H 1.50 0.01 2 1013 420 104 LYS HB3 H 1.21 0.01 2 1014 420 104 LYS HG2 H 1.39 0.01 2 1015 420 104 LYS HG3 H 1.33 0.01 2 1016 420 104 LYS HD2 H 1.55 0.01 2 1017 420 104 LYS HD3 H 1.48 0.01 2 1018 420 104 LYS HE2 H 2.96 0.01 2 1019 420 104 LYS HE3 H 2.96 0.01 2 1020 420 104 LYS CA C 57.33 0.05 1 1021 420 104 LYS CB C 32.58 0.05 1 1022 420 104 LYS CG C 25.75 0.05 1 1023 420 104 LYS CD C 27.95 0.05 1 1024 420 104 LYS CE C 41.8 0.1 1 1025 420 104 LYS N N 122.04 0.05 1 1026 421 105 LYS H H 7.50 0.01 1 1027 421 105 LYS HA H 5.05 0.01 1 1028 421 105 LYS HB2 H 1.75 0.01 2 1029 421 105 LYS HB3 H 1.39 0.01 2 1030 421 105 LYS HG2 H 1.37 0.01 2 1031 421 105 LYS HG3 H 1.34 0.01 2 1032 421 105 LYS HD2 H 1.62 0.01 2 1033 421 105 LYS HD3 H 1.62 0.01 2 1034 421 105 LYS HE2 H 2.95 0.01 2 1035 421 105 LYS HE3 H 2.95 0.01 2 1036 421 105 LYS CA C 53.93 0.05 1 1037 421 105 LYS CB C 35.53 0.05 1 1038 421 105 LYS CG C 24.19 0.05 1 1039 421 105 LYS CD C 28.6 0.1 1 1040 421 105 LYS CE C 41.8 0.1 1 1041 421 105 LYS N N 118.95 0.05 1 1042 422 106 PHE H H 8.83 0.01 1 1043 422 106 PHE HA H 4.74 0.01 1 1044 422 106 PHE HB2 H 3.58 0.01 2 1045 422 106 PHE HB3 H 2.56 0.01 2 1046 422 106 PHE HD1 H 7.09 0.01 3 1047 422 106 PHE HD2 H 7.09 0.01 3 1048 422 106 PHE HE1 H 6.83 0.01 3 1049 422 106 PHE HE2 H 6.83 0.01 3 1050 422 106 PHE HZ H 6.20 0.01 1 1051 422 106 PHE CA C 56.85 0.05 1 1052 422 106 PHE CB C 43.49 0.05 1 1053 422 106 PHE CD1 C 131.86 0.05 3 1054 422 106 PHE CD2 C 131.86 0.05 3 1055 422 106 PHE CE1 C 130.02 0.05 3 1056 422 106 PHE CE2 C 130.02 0.05 3 1057 422 106 PHE CZ C 128.48 0.05 1 1058 422 106 PHE N N 116.40 0.05 1 1059 423 107 ALA H H 9.23 0.01 1 1060 423 107 ALA HA H 4.65 0.01 1 1061 423 107 ALA HB H 1.68 0.01 1 1062 423 107 ALA CA C 53.48 0.05 1 1063 423 107 ALA CB C 19.91 0.05 1 1064 423 107 ALA N N 123.11 0.05 1 1065 424 108 ARG H H 7.72 0.01 1 1066 424 108 ARG HA H 4.82 0.01 1 1067 424 108 ARG HB2 H 2.13 0.01 2 1068 424 108 ARG HB3 H 1.66 0.01 2 1069 424 108 ARG HD2 H 3.30 0.01 2 1070 424 108 ARG HD3 H 3.30 0.01 2 1071 424 108 ARG CA C 53.68 0.05 1 1072 424 108 ARG CB C 34.58 0.05 1 1073 424 108 ARG CG C 26.7 0.1 1 1074 424 108 ARG CD C 43.0 0.1 1 1075 424 108 ARG N N 113.47 0.05 1 1076 425 109 SER H H 8.48 0.01 1 1077 425 109 SER CA C 60.3 0.1 1 1078 425 109 SER CB C 61.7 0.1 1 1079 425 109 SER N N 119.13 0.05 1 1080 426 110 ASP H H 8.52 0.01 1 1081 426 110 ASP HA H 4.15 0.01 1 1082 426 110 ASP HB2 H 2.61 0.01 2 1083 426 110 ASP HB3 H 2.54 0.01 2 1084 426 110 ASP CA C 56.11 0.05 1 1085 426 110 ASP CB C 38.89 0.05 1 1086 426 110 ASP N N 118.69 0.05 1 1087 427 111 GLU H H 6.95 0.01 1 1088 427 111 GLU HA H 3.77 0.01 1 1089 427 111 GLU HB2 H 2.30 0.01 2 1090 427 111 GLU HB3 H 1.94 0.01 2 1091 427 111 GLU HG2 H 2.25 0.01 2 1092 427 111 GLU HG3 H 2.22 0.01 2 1093 427 111 GLU CA C 57.77 0.05 1 1094 427 111 GLU CB C 29.91 0.05 1 1095 427 111 GLU CG C 36.74 0.05 1 1096 427 111 GLU N N 119.68 0.05 1 1097 428 112 LEU H H 6.85 0.01 1 1098 428 112 LEU HA H 3.21 0.01 1 1099 428 112 LEU HB2 H 1.93 0.01 2 1100 428 112 LEU HB3 H 1.11 0.01 2 1101 428 112 LEU HG H 1.18 0.01 1 1102 428 112 LEU HD1 H 1.01 0.01 2 1103 428 112 LEU HD2 H 0.82 0.01 2 1104 428 112 LEU CA C 57.11 0.05 1 1105 428 112 LEU CB C 40.14 0.05 1 1106 428 112 LEU CG C 26.69 0.05 1 1107 428 112 LEU CD1 C 25.68 0.05 2 1108 428 112 LEU CD2 C 22.37 0.05 2 1109 428 112 LEU N N 121.05 0.05 1 1110 429 113 VAL H H 7.83 0.01 1 1111 429 113 VAL HA H 3.50 0.01 1 1112 429 113 VAL HB H 1.97 0.01 1 1113 429 113 VAL HG1 H 0.90 0.01 2 1114 429 113 VAL HG2 H 0.99 0.01 2 1115 429 113 VAL CA C 66.26 0.05 1 1116 429 113 VAL CB C 31.39 0.05 1 1117 429 113 VAL CG1 C 20.59 0.05 2 1118 429 113 VAL CG2 C 22.14 0.05 2 1119 429 113 VAL N N 118.98 0.05 1 1120 430 114 ARG H H 7.27 0.01 1 1121 430 114 ARG HA H 3.96 0.01 1 1122 430 114 ARG HB2 H 1.41 0.01 2 1123 430 114 ARG HB3 H 1.27 0.01 2 1124 430 114 ARG HG2 H 1.64 0.01 2 1125 430 114 ARG HG3 H 1.64 0.01 2 1126 430 114 ARG HD2 H 3.22 0.01 2 1127 430 114 ARG HD3 H 3.15 0.01 2 1128 430 114 ARG CA C 58.96 0.05 1 1129 430 114 ARG CB C 29.69 0.05 1 1130 430 114 ARG CG C 27.3 0.1 1 1131 430 114 ARG CD C 43.0 0.1 1 1132 430 114 ARG N N 117.32 0.05 1 1133 431 115 HIS H H 7.55 0.01 1 1134 431 115 HIS HA H 4.20 0.01 1 1135 431 115 HIS HB2 H 2.99 0.01 2 1136 431 115 HIS HB3 H 2.75 0.01 2 1137 431 115 HIS HD2 H 7.27 0.01 1 1138 431 115 HIS HE1 H 7.66 0.01 1 1139 431 115 HIS CA C 58.85 0.05 1 1140 431 115 HIS CB C 28.33 0.05 1 1141 431 115 HIS CD2 C 127.32 0.05 1 1142 431 115 HIS CE1 C 137.44 0.05 1 1143 431 115 HIS N N 118.15 0.05 1 1144 432 116 HIS H H 8.98 0.01 1 1145 432 116 HIS HA H 4.23 0.01 1 1146 432 116 HIS HB2 H 3.41 0.01 2 1147 432 116 HIS HB3 H 3.27 0.01 2 1148 432 116 HIS HD2 H 6.93 0.01 1 1149 432 116 HIS HE1 H 7.79 0.01 1 1150 432 116 HIS CA C 58.61 0.05 1 1151 432 116 HIS CB C 29.90 0.05 1 1152 432 116 HIS CD2 C 119.73 0.05 1 1153 432 116 HIS CE1 C 136.97 0.05 1 1154 432 116 HIS N N 119.54 0.05 1 1155 433 117 ASN H H 7.64 0.01 1 1156 433 117 ASN HA H 4.62 0.01 1 1157 433 117 ASN HB2 H 2.92 0.01 2 1158 433 117 ASN HB3 H 2.86 0.01 2 1159 433 117 ASN CA C 54.08 0.05 1 1160 433 117 ASN CB C 38.00 0.05 1 1161 433 117 ASN N N 115.33 0.05 1 1162 434 118 MET H H 7.69 0.01 1 1163 434 118 MET HA H 4.35 0.01 1 1164 434 118 MET HB2 H 1.97 0.01 2 1165 434 118 MET HB3 H 1.78 0.01 2 1166 434 118 MET HG2 H 2.59 0.01 2 1167 434 118 MET HG3 H 2.46 0.01 2 1168 434 118 MET CA C 54.98 0.05 1 1169 434 118 MET CB C 31.89 0.05 1 1170 434 118 MET CG C 31.65 0.05 1 1171 434 118 MET N N 117.54 0.05 1 1172 435 119 HIS H H 6.88 0.01 1 1173 435 119 HIS HA H 3.75 0.01 1 1174 435 119 HIS HB2 H 2.16 0.01 2 1175 435 119 HIS HB3 H 2.16 0.01 2 1176 435 119 HIS HD2 H 6.06 0.01 1 1177 435 119 HIS HE1 H 7.70 0.01 1 1178 435 119 HIS CA C 58.07 0.05 1 1179 435 119 HIS CB C 27.84 0.05 1 1180 435 119 HIS CD2 C 125.23 0.05 1 1181 435 119 HIS CE1 C 137.22 0.05 1 1182 435 119 HIS N N 124.72 0.05 1 stop_ save_